1204-21-3

2-溴-2',5'-二甲氧基苯乙酮(1204-21-3)紅外圖譜(IR1)

產(chǎn)品名稱:2-溴-2',5'-二甲氧基苯乙酮

CAS:1204-21-3

分子式:C10H11BrO3

分子量: 259.1

InChI:InChI=1S/C10H11BrO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5H,6H2,1-2H3

InChIKey: RGQNFYVSEWDUEI-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC(OC)=CC=C1OC)CBr

Mass

MS-NW-6334          
2-bromo-2',5'-dimethoxyacetophenone
C10H11BrO3          (Mass of molecular ion:    258)

   Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.6
      18.0       2.3
      38.0       1.1
      39.0       3.0
      42.0       1.0
      43.0       1.2
      50.0       2.8
      51.0       5.6
      52.0       1.1
      53.0       4.0
      54.0       1.0
      62.0       2.0
      63.0       5.3
      64.0       3.6
      65.0       4.1
      66.0       3.6
      74.0       1.3
      75.0       1.5
      76.0       2.2
      77.0      11.8
      78.0       3.1
      79.0       5.2
      91.0       3.8
      92.0       6.2
      93.0       1.2
      94.0       1.4
     102.0       1.4
     105.0       1.3
     106.0       1.3
     107.0       9.6
     108.0       2.3
     109.0       1.8
     121.0       6.9
     122.0       7.4
     123.0       1.0
     135.0       2.0
     136.0       1.6
     148.0       1.2
     149.0       1.3
     150.0       6.0
     151.0       1.3
     164.0       2.0
     165.0     100.0
     166.0      10.5
     167.0       1.3
     180.0       1.6
     181.0       1.6
     183.0       1.5
     193.0       1.2
     258.0      13.1
     259.0       1.6
     260.0      13.0
     261.0       1.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₁ Br O₃	0.049 g : 0.5 ml CDCl₃
2-bromo-2',5'-dimethoxyacetophenone

    Assign.     Shift(ppm)

      A             7.352
      B             7.070
      C             6.945
      D             4.604
      E     *1      3.904
      F     *1      3.789
     
     J(A,B)=3.0HZ. J(A,C)=0.5HZ. J(B,C)=9.0HZ.

     Hz     ppm     Int.

    660.38   7.374     74
    659.88   7.369     73
    657.44   7.341     98
    656.88   7.335     92
    641.31   7.161     59
    638.31   7.128     32
    632.31   7.061    153
    629.31   7.027    138
    624.13   6.969    117
    623.75   6.965    119
    615.06   6.868     34
    614.69   6.864     31
    412.38   4.605   1000
    349.69   3.905    852
    346.38   3.868     24
    339.44   3.791    978

in CDCl3